Compound Detail
CHEMBL18027
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Basic Information
| ChEMBL ID | CHEMBL18027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPGANUOFXWVURM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
201.4
MW (Da)
0.97
ALogP
3
HBA
3
HBD
36.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Ki 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.16 | 5.0533 | 700.0 | 3 |
| Molecular identity unknown CHEMBL612546 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 700.0 | nM | 6.16 | Growth inhibitory activity against L1210 cells (96h) | 9154970 |
| L1210 | IC50 | = | 10000.0 | nM | 5.0 | Tested for inhibition of L1210 cell growth by the compound after 96 hr | 3373487 |
| Molecular identity unknown | Ki | = | 19000.0 | nM | 4.72 | Binding affinity values for polyamine transporter was determined | 9154970 |
| L1210 | IC50 | = | 100000.0 | nM | 4.0 | Growth inhibitory activity against L1210 cells (48h) | 9154970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154970 | 10.1021/jm960849j | L1210 | 9 |
| 11141084 | 10.1021/jm000084m | NCI-H157 | 3 |
| 3373487 | 10.1021/jm00401a019 | L1210 | 2 |
| 9154970 | 10.1021/jm960849j | ADMET | 2 |
| 11141084 | 10.1021/jm000084m | NCH82 | 1 |
| 11141084 | 10.1021/jm000084m | Diamine acetyltransferase 1 | 1 |
| 11141084 | 10.1021/jm000084m | Ornithine decarboxylase | 1 |
| 11141084 | 10.1021/jm000084m | S-adenosylmethionine decarboxylase proenzyme | 1 |
| 9154970 | 10.1021/jm960849j | Molecular identity unknown | 1 |
| 9154970 | 10.1021/jm960849j | Unchecked | 1 |
| 9154970 | 10.1021/jm960849j | S-adenosylmethionine decarboxylase proenzyme 1 | 1 |
| 9154970 | 10.1021/jm960849j | Spermidine/spermine N(1)-acetyltransferase (SAT) | 1 |
Data from ChEMBL 36 via Core Engine